1,3-Benzodioxole-5-carbonitrile

CAS Registry Number®

4421-09-4

CAS Name

1,3-Benzodioxole-5-carbonitrile

Molecular Formula

C8H5NO2

Molecular Mass

147.13

Cite this Page

1,3-Benzodioxole-5-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4421-09-4 (retrieved 2024-11-22) (CAS RN: 4421-09-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-97 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2

InChIKey

InChIKey=PKRWWZCDLJSJIF-UHFFFAOYSA-N

SMILES

C(#N)C=1C=C2C(=CC1)OCO2

Canonical SMILES

N#CC1=CC=C2OCOC2=C1

Other Names for this Substance

  • 1,3-Benzodioxole-5-carbonitrile
  • Piperonylonitrile
  • 1-Cyano-3,4-methylenedioxybenzene
  • 5-Cyano-1,3-benzodioxole
  • 3,4-(Methylenedioxy)benzonitrile

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration